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1-ethyl-6-fluoranyl-7-[6-(4-fluorophenyl)-4,5-dihydro-3H-pyridazin-2-yl]-4-oxidanylidene-quinoline-3-carboxylic acid
SpectraBase Compound ID Hm4HkyKqYmH
InChI InChI=1S/C22H19F2N3O3/c1-2-26-12-16(22(29)30)21(28)15-10-17(24)20(11-19(15)26)27-9-3-4-18(25-27)13-5-7-14(23)8-6-13/h5-8,10-12H,2-4,9H2,1H3,(H,29,30)
InChIKey OAHCIIPFVNNNMU-UHFFFAOYSA-N
Mol Weight 411.41 g/mol
Molecular Formula C22H19F2N3O3
Exact Mass 411.139448 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8RLjP2RaFE1
Name 1-ethyl-6-fluoranyl-7-[6-(4-fluorophenyl)-4,5-dihydro-3H-pyridazin-2-yl]-4-oxidanylidene-quinoline-3-carboxylic acid
CAS Registry Number 120109-88-8
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H19F2N3O3
InChI InChI=1S/C22H19F2N3O3/c1-2-26-12-16(22(29)30)21(28)15-10-17(24)20(11-19(15)26)27-9-3-4-18(25-27)13-5-7-14(23)8-6-13/h5-8,10-12H,2-4,9H2,1H3,(H,29,30)
InChIKey OAHCIIPFVNNNMU-UHFFFAOYSA-N
Molecular Weight 411.409 g/mol
SMILES OC(C=1C(c2cc(F)c(N3N=C(c4ccc(cc4)F)CCC3)cc2N(C1)CC)=O)=O
SPLASH splash10-02t9-0009500000-05f62046228f29405829
Source of Spectrum Y-25-1545-20
Synonyms 1-ethyl-6-fluoro-7-[6-(4-fluorophenyl)-4,5-dihydro-3H-pyridazin-2-yl]-4-keto-quinoline-3-carboxylic acid 1-ethyl-6-fluoro-7-[6-(4-fluorophenyl)-4,5-dihydro-3H-pyridazin-2-yl]-4-oxo-3-quinolinecarboxylic acid 1-ethyl-6-fluoro-7-[6-(4-fluorophenyl)-4,5-dihydro-3H-pyridazin-2-yl]-4-oxo-quinoline-3-carboxylic acid
Wiley ID 1374069